N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

InChI

InChI=1S/C22H28N4O2/c1-2-15-28-20-6-4-3-5-18(20)16-25-13-10-19(11-14-25)26-21(9-12-23-26)24-22(27)17-7-8-17/h2-6,9,12,17,19H,1,7-8,10-11,13-16H2,(H,24,27)/p+1